2-acetamido-3-(2-chloranyl-4-nitro-phenyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-chloranyl-4-nitro-phenyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-chloro-4-nitro-phenyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(2-chloro-4-nitrophenyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-chloro-4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2-chloro-4-nitro-phenyl)thio]propionic acid Formula: C11H11ClN2O5S MolecularWeight: 318.73344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=C(C=C(C=C1)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=C(C=C(C=C1)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C11H11ClN2O5S/c1-6(15)13-9(11(16)17)5-20-10-3-2-7(14(18)19)4-8(10)12/h2-4,9H,5H2,1H3,(H,13,15)(H,16,17)